SCHEMBL10399302

SCHEMBL10399302

Cc1[c]c2ccccc2n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
TNF P01375 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 4/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
P2RX4 Q99571 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PDE6D O43924 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3073048 0.90 P2RX4 (0.51) SMN1; SMN2LMNAMEN1KMT2AP2RX4
SCHEMBL3093503 0.88 P2RX4 (0.40) CYP19A1TNFSMN1; SMN2LMNAMEN1
SCHEMBL3088631 0.84 P2RX4 (0.54) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL3084394 0.84 DRD2 (0.43) TNFSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3083770 0.84 TP53 (0.45) SMN1; SMN2P2RX4TP53MAPT
SCHEMBL323754 0.79 ALDH1A1 (0.41) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL8356648 0.79 CYP19A1 (0.46) CYP19A1TNFSMN1; SMN2LMNAMEN1
SCHEMBL8360274 0.79 ALDH1A1 (0.52) SMN1; SMN2KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL2115649 0.79 CYP19A1 (0.48) CYP19A1TNFSMN1; SMN2LMNAMEN1
SCHEMBL5622614 0.79 CYP19A1 (0.48) CYP19A1TNFSMN1; SMN2LMNAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4054718-A Heat-sensitive recording material containing a malachite green color former CIBA-GEIGY CORPORATION (US) 1977-10-18 US claimed
US-4966983-A PRESSURE OR HEAT SENSITIVE ELEMENTS BASF AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
US-4841050-A Carbazole containing benzopyrans BASF AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0236973-B1 BENZOPYRANES AND THEIR USE IN A RECORDING SYSTEM BASF Aktiengesellschaft (DE) 1989-06-14 EP disclosed
EP-0236973-A2 Benzopyranes and their use in a recording system BASF Aktiengesellschaft (DE) 1987-09-16 EP disclosed
US-4054718-A Heat-sensitive recording material containing a malachite green color former CIBA-GEIGY CORPORATION (US) 1977-10-18 US disclosed