SCHEMBL9864818

SCHEMBL9864818

CSc1nc2ccc(C)ccc-2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PTBP1 P26599 1/20 0.46
TNFSF10 P50591 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CCR1 P32246 2/20 0.39
CCR8 P51685 2/20 0.39

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
SCHEMBL5592998 0.82 MAPT (0.52) LMNAHTTCYP1A2CYP2C19RAB9A
SCHEMBL9864937 0.77 HSP90AA1 (0.48) LMNAHTTRAB9ANPC1SMN1; SMN2
SCHEMBL5593047 0.75 ALDH1A1 (0.57) LMNAHTTCYP1A2CYP2C19RAB9A
SCHEMBL8961804 0.75 RAB9A (0.69) LMNAHTTCYP1A2CYP2C19RAB9A
SCHEMBL9865288 0.73 ACHE (0.50) LMNACYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL11339198 0.72 ALDH1A1 (0.73) LMNAHTTCYP1A2CYP2C19RAB9A
SCHEMBL7818543 0.70 CYP1A2 (0.46) LMNAHTTCYP1A2CYP2C19RAB9A
SCHEMBL7811229 0.70 CYP1A2 (0.58) LMNAHTTCYP1A2CYP2C19RAB9A
SCHEMBL9864593 0.69 ACHE (0.44) LMNACYP1A2RAB9ANPC1SMN1; SMN2
P-Xylene SCHEMBL10716397 0.67 ACHE (0.73) LMNASMN1; SMN2TP53ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003077-A Having a cycloheptimidazole nucleus; photostability; methine bond having an auxochrome FUJI PHOTO FILM CO., LTD. (JP) 1991-03-26 US disclosed
US-4900648-A RECORDING, ERASING USING LASER BEAM, METHINE DYE FUJI PHOTO FILM CO., LTD. (JP) 1990-02-13 US disclosed
US-4814265-A CONTAINING METHANE DYE FUJI PHOTO FILM CO., LTD. (JP) 1989-03-21 US disclosed