SCHEMBL31297355

SCHEMBL31297355

C=C[C@]1(Cc2ccccc2F)Cc2ccccc2N1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 2/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
IDO1 P14902 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL31297364 0.73 MEN1 (0.33) KMT2AMAPT
SCHEMBL31297361 0.72 KDM1A (0.40) KMT2ATAAR1KDM1AMAOAMAOB
SCHEMBL31297357 0.72 OPRM1 (0.32)
SCHEMBL24832747 0.65 BRD4 (0.35) KMT2AGAAKDM4EMAPTCYP2C19
SCHEMBL31297358 0.65 LMNA (0.36) ALDH1A1MGAMGAASIMGAM2
SCHEMBL31297360 0.65 L3MBTL1 (0.36) KDM1A
Hydrochloric Acid SCHEMBL28524749 0.64 HTR5A (0.33) KMT2AGAAKDM4EMAPT
SCHEMBL248425 0.63 TAAR1 (0.48) KMT2ATAAR1ALDH1A1IDO1MAPT
SCHEMBL31297363 0.62 AR (0.41) KMT2AALDH1A1MAOAMAOBCYP3A4
SCHEMBL13388148 0.61 TAAR1 (0.46) KMT2ATAAR1ALDH1A1IDO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143652-A Chiral 2-bit disubstituted indoline compound and synthetic method and application thereof 山东大学 2024-12-17 CN disclosed