SCHEMBL9799448

SCHEMBL9799448

O=C(O)C1(Nc2ccccc2)C=CC=CN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32

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
SCHEMBL30230568 0.82 RAB9A (0.44) EPHX2SMN1; SMN2POLBALDH1A1GAA
SCHEMBL9488221 0.65 NAPRT (0.37) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL6206540 0.62 CRHBP (0.41) KCNK3KCNK9ALDH1A1RAB9A
SCHEMBL8833247 0.62 — —
SCHEMBL10753033 0.62 LMNA (0.37) TSHRSMN1; SMN2NAPRTHSD17B10POLB
SCHEMBL7153039 0.62 CYP1A2 (0.53) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL17238789 0.61 CA2 (0.31) —
SCHEMBL3488485 0.61 — —
SCHEMBL2512897 0.59 — —
SCHEMBL1663585 0.59 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047132-A Apparatus for catalytically reducing dioxygen using dirhodium complexes UNIVERSITY OF HOUSTON (US) 1991-09-10 — — US disclosed
US-4909911-A Process for catalytically reducing dioxygen using dirhodium complexes UNIVERSITY OF HOUSTON (US) 1990-03-20 — — US disclosed
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